methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate

C16H14O5 — CID 54737466

IUPACmethyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate
SMILESCOC(=O)/C(C)=C1/OC(=O)C(/C=C/c2ccccc2)=C1O
InChIInChI=1S/C16H14O5/c1-10(15(18)20-2)14-13(17)12(16(19)21-14)9-8-11-6-4-3-5-7-11/h3-9,17H,1-2H3/b9-8+,14-10+
InChIKeyCWZHLZUGVHZPQJ-ANVLWLQNSA-N
MW286.28 g/mol
LogP2.52
Rot. Bonds3

About methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate

methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate (PubChem CID 54737466) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate
PubChem CID54737466
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namemethyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate
SMILESCOC(=O)/C(C)=C1/OC(=O)C(/C=C/c2ccccc2)=C1O
InChIInChI=1S/C16H14O5/c1-10(15(18)20-2)14-13(17)12(16(19)21-14)9-8-11-6-4-3-5-7-11/h3-9,17H,1-2H3/b9-8+,14-10+
InChIKeyCWZHLZUGVHZPQJ-ANVLWLQNSA-N
XLogP2.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Desmethoxyyangonin
CID 5273621
Vulpinic Acid
CID 54690323
Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate
CID 54699186
Asnipyrone A
CID 53483955
Asnipyrone B
CID 56679815
(5S,6S)-5,6-Dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one
CID 23757115
Nigerapyrone F
CID 53493848
Nigerapyrone G
CID 53493849
Nigerapyrone H
CID 53493850
Lehualide F
CID 54728953
Lehualide G
CID 54733285
Methyl 2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate
CID 54684634

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate?
The IUPAC name of methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate (CID 54737466) is methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate.
What is the SMILES notation for methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate?
The canonical SMILES for methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate is COC(=O)/C(C)=C1/OC(=O)C(/C=C/c2ccccc2)=C1O.
What is the InChIKey of methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate?
The InChIKey is CWZHLZUGVHZPQJ-ANVLWLQNSA-N. The full InChI is InChI=1S/C16H14O5/c1-10(15(18)20-2)14-13(17)12(16(19)21-14)9-8-11-6-4-3-5-7-11/h3-9,17H,1-2H3/b9-8+,14-10+.
What are the key properties of methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate?
methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate has a molecular weight of 286.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[3-hydroxy-5-oxo-4-[(E)-2-phenylethenyl]furan-2-ylidene]propanoate is sourced from PubChem (CID 54737466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).